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16552-65-1 | 5-Isoquinolinamine, 4-bromo-
CAS No: 16552-65-1 Catalog No: AG001W75 MDL No:MFCD11506153
Product Description
Catalog Number:
AG001W75
Chemical Name:
5-Isoquinolinamine, 4-bromo-
CAS Number:
16552-65-1
Molecular Formula:
C9H7BrN2
Molecular Weight:
223.0693
MDL Number:
MFCD11506153
IUPAC Name:
4-bromoisoquinolin-5-amine
InChI:
InChI=1S/C9H7BrN2/c10-7-5-12-4-6-2-1-3-8(11)9(6)7/h1-5H,11H2
InChI Key:
RJLUYBOSXJNQBN-UHFFFAOYSA-N
SMILES:
Nc1cccc2c1c(Br)cnc2
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.073g/mol
Monoisotopic Mass:
221.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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